Unraveling structures of protection ligands on gold nanoparticle Au68(SH)32

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Science Advances  24 Apr 2015:
Vol. 1, no. 3, e1400211
DOI: 10.1126/sciadv.1400211

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  • Calculated vibration peak in fig. 4

    There is a serious misinterpretation in figure 4 regarding the peak
    at 2500 cm-1.

    The identity of the calculated 2500 cm-1 peak is not discussed in this work,
    however based on the energy i assume it is the S-H stretching mode.
    This is an artifact created by using the -SH as a ligand, use anything
    else e.g. methylthiolate -S-CH3, and the vibration at 2500 cm-1
    disappears. Also the broadening (FWHM approx. 700 cm-1) applied
    to this peak is extreme for a vibrational peak. Normally vibrations
    in condensed phase have width between 5-50 cm-1.

    In our original paper we deliberately removed the vibrational contribution of
    the 3MBA-ligand from the spectra to better compare the experimental and
    computational electronic absorption.

    Competing Interests: Co-author of the original article this work is based on. (Science Vol. 345 no. 6199 pp. 909-912)

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